2,2-dimethyl-1,3-dithiolane

C5H10S2 — CID 22332

IUPAC2,2-dimethyl-1,3-dithiolane
SMILESCC1(C)SCCS1
InChIInChI=1S/C5H10S2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
InChIKeyHEDYXMHGMMWNBO-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.20
Rot. Bonds

About 2,2-dimethyl-1,3-dithiolane

2,2-dimethyl-1,3-dithiolane (PubChem CID 22332) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dithiolane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dithiolane
PubChem CID22332
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name2,2-dimethyl-1,3-dithiolane
SMILESCC1(C)SCCS1
InChIInChI=1S/C5H10S2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
InChIKeyHEDYXMHGMMWNBO-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,3-dithiolane
CID 21828
3,5-Dimethyl-1,2,4-trithiolane
CID 32033
Ethane, 1,1-bis(ethylthio)-
CID 139711
3,5-Diethyl-1,2,4-trithiolane
CID 520895
2-Isopropyl-1,3-dithiolane
CID 33589
3,5-Diethyl-1,2,4-trithiolane, (Z)-
CID 6431294
2,2,4-Trimethyl-1,3-dithiolane
CID 22148
1,3-Dithiolane, 2-ethyl-2-methyl-
CID 22333
1,3-Dithiolane, 4-methyl-
CID 39655
1,3-Dithiolane, 2,2-diethyl-
CID 33590
1,3-Dithiolane, 2-tert-butyl-
CID 37826
1,3-Dithiolane, 2-methyl-2-propyl-
CID 42238

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dithiolane?
The IUPAC name of 2,2-dimethyl-1,3-dithiolane (CID 22332) is 2,2-dimethyl-1,3-dithiolane.
What is the SMILES notation for 2,2-dimethyl-1,3-dithiolane?
The canonical SMILES for 2,2-dimethyl-1,3-dithiolane is CC1(C)SCCS1.
What is the InChIKey of 2,2-dimethyl-1,3-dithiolane?
The InChIKey is HEDYXMHGMMWNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dithiolane?
2,2-dimethyl-1,3-dithiolane has a molecular weight of 134.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dithiolane is sourced from PubChem (CID 22332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).